UCSF

ZINC67432635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.42 0.64 -22.42 3 8 0 114 321.724 2
Hi High (pH 8-9.5) -0.96 -0.99 -52.16 2 8 -1 117 320.716 2
Lo Low (pH 4.5-6) -1.42 1.09 -47.78 4 8 1 115 322.732 2

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Analogs ( Draw Identity 99% 90% 80% 70% )

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